N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide

C13H26N2O — CID 102778623

IUPACN-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-8-14-11(9)12(16)15(6)10(2)13(3,4)5/h9-11,14H,7-8H2,1-6H3
InChIKeyXQSJWFJBVSOALC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide

N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 102778623) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID102778623
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-8-14-11(9)12(16)15(6)10(2)13(3,4)5/h9-11,14H,7-8H2,1-6H3
InChIKeyXQSJWFJBVSOALC-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102777396
N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
N-(1-cyclopropylethyl)-N,3-dimethylpiperidine-2-carboxamide
CID 107067226
3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 102778679
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998
N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102779740
N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 102779238
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102779294
N,3-dimethyl-N-(1-pyridin-4-ylethyl)piperidine-2-carboxamide
CID 107067802

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide (CID 102778623) is N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is XQSJWFJBVSOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-8-14-11(9)12(16)15(6)10(2)13(3,4)5/h9-11,14H,7-8H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).